N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide

C14H23N3OS — CID 80548409

IUPACN,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
SMILESCN(Cc1ccsc1)C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H23N3OS/c1-14(2,17-7-5-15-6-8-17)13(18)16(3)10-12-4-9-19-11-12/h4,9,11,15H,5-8,10H2,1-3H3
InChIKeyQZSTXIBDYBIXEE-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.39
Rot. Bonds4

About N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide

N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 80548409) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
PubChem CID80548409
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
SMILESCN(Cc1ccsc1)C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H23N3OS/c1-14(2,17-7-5-15-6-8-17)13(18)16(3)10-12-4-9-19-11-12/h4,9,11,15H,5-8,10H2,1-3H3
InChIKeyQZSTXIBDYBIXEE-UHFFFAOYSA-N
XLogP1.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 80547402
N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548872
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
N,2,2-trimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 39966816
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62733557
2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 55025197
2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide
CID 79797348
2-(ethylamino)-N,2-dimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 62831220
N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548846
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 60850565
N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
CID 154900256
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80551052

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide (CID 80548409) is N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide is CN(Cc1ccsc1)C(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is QZSTXIBDYBIXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-14(2,17-7-5-15-6-8-17)13(18)16(3)10-12-4-9-19-11-12/h4,9,11,15H,5-8,10H2,1-3H3.
What are the key properties of N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide?
N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 281.42 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 80548409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).